2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Compound characteristics
| Compound ID: | 7445-0117 |
| Compound Name: | 2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C19 H18 N6 O3 S |
| Smiles: | CCn1c(c2ccccc2O)nnc1SCC(Nc1ccc2c(c1)NC(N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0044 |
| logD: | 2.99 |
| logSw: | -3.3899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.39 |
| InChI Key: | QJLCJAATFMOOFQ-UHFFFAOYSA-N |